Crystallography Open Database

Information card for entry 4106172

Preview

Coordinates	4106172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu3 F6 K O8 P3
Calculated formula	Cu3 F6 K O8 P3
Title of publication	Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates
Authors of publication	Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	8252 - 8263
a	18.972 ± 0.0007 Å
b	7.4973 ± 0.0004 Å
c	7.7663 ± 0.0003 Å
α	90°
β	103.629 ± 0.002°
γ	90°
Cell volume	1073.56 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4106172.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106172.cif
52963	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106172 via cif-deposit CGI script.	4106172.cif